[4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-(5-fluoro-2-pyridinyl)methanone

C15H18FN5O — CID 128966110

IUPAC[4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-(5-fluoro-2-pyridinyl)methanone
SMILESCCN1CCN(C(=O)c2ccc(F)cn2)CC1c1ncc[nH]1
InChIInChI=1S/C15H18FN5O/c1-2-20-7-8-21(10-13(20)14-17-5-6-18-14)15(22)12-4-3-11(16)9-19-12/h3-6,9,13H,2,7-8,10H2,1H3,(H,17,18)
InChIKeyBWTGLUFBASPKHZ-UHFFFAOYSA-N
MW303.34 g/mol
LogP1.46
Rot. Bonds3

About [4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-(5-fluoro-2-pyridinyl)methanone

[4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-(5-fluoro-2-pyridinyl)methanone (PubChem CID 128966110) has the molecular formula C15H18FN5O and a molecular weight of 303.34 g/mol. Its IUPAC name is [4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-(5-fluoro-2-pyridinyl)methanone.

Molecular Properties

Compound Name[4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-(5-fluoro-2-pyridinyl)methanone
PubChem CID128966110
Molecular FormulaC15H18FN5O
Molecular Weight303.34 g/mol
Exact Mass303.15
IUPAC Name[4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-(5-fluoro-2-pyridinyl)methanone
SMILESCCN1CCN(C(=O)c2ccc(F)cn2)CC1c1ncc[nH]1
InChIInChI=1S/C15H18FN5O/c1-2-20-7-8-21(10-13(20)14-17-5-6-18-14)15(22)12-4-3-11(16)9-19-12/h3-6,9,13H,2,7-8,10H2,1H3,(H,17,18)
InChIKeyBWTGLUFBASPKHZ-UHFFFAOYSA-N
XLogP1.46
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3S)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 129329971
[4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 128997843
[(3S)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone
CID 129338090
(2,3-difluorophenyl)-[(3R)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]methanone
CID 129332514
[4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-(2-methyl-1H-pyrrol-3-yl)methanone
CID 128992146
5-[4-ethyl-3-(1H-imidazol-2-yl)piperazine-1-carbonyl]-1H-pyridin-2-one
CID 128994735
[(3S)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 129340634
[4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 129006467
(2,4-dimethylpyrimidin-5-yl)-[4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]methanone
CID 128974600
3-[4-ethyl-3-(1H-imidazol-2-yl)piperazine-1-carbonyl]-4-methyl-1H-pyridin-2-one
CID 167822537
[(3S)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-(5-methyl-1,3-oxazol-4-yl)methanone
CID 129330127
2-(diethylamino)-1-[(3R)-4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]ethanone
CID 129330524

Frequently Asked Questions

What is the IUPAC name of [4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-(5-fluoro-2-pyridinyl)methanone?
The IUPAC name of [4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-(5-fluoro-2-pyridinyl)methanone (CID 128966110) is [4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-(5-fluoro-2-pyridinyl)methanone.
What is the SMILES notation for [4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-(5-fluoro-2-pyridinyl)methanone?
The canonical SMILES for [4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-(5-fluoro-2-pyridinyl)methanone is CCN1CCN(C(=O)c2ccc(F)cn2)CC1c1ncc[nH]1.
What is the InChIKey of [4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-(5-fluoro-2-pyridinyl)methanone?
The InChIKey is BWTGLUFBASPKHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN5O/c1-2-20-7-8-21(10-13(20)14-17-5-6-18-14)15(22)12-4-3-11(16)9-19-12/h3-6,9,13H,2,7-8,10H2,1H3,(H,17,18).
What are the key properties of [4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-(5-fluoro-2-pyridinyl)methanone?
[4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-(5-fluoro-2-pyridinyl)methanone has a molecular weight of 303.34 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethyl-3-(1H-imidazol-2-yl)piperazin-1-yl]-(5-fluoro-2-pyridinyl)methanone is sourced from PubChem (CID 128966110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).